CID 154577179

2168784-50-5

Structural Information

Molecular Formula
C9H15BrO2
SMILES
C1COCCC1(CC2CO2)CBr
InChI
InChI=1S/C9H15BrO2/c10-7-9(5-8-6-12-8)1-3-11-4-2-9/h8H,1-7H2
InChIKey
UUCIFDAFSQKOJK-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-4-(oxiran-2-ylmethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02554 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03282 147.2
[M+Na]+ 257.01476 157.6
[M-H]- 233.01826 157.7
[M+NH4]+ 252.05936 163.2
[M+K]+ 272.98870 151.1
[M+H-H2O]+ 217.02280 147.2
[M+HCOO]- 279.02374 163.8
[M+CH3COO]- 293.03939 188.2
[M+Na-2H]- 255.00021 156.3
[M]+ 234.02499 166.5
[M]- 234.02609 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.